#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5c h SER 2 N 0.00 -0.84 -5.85 1.61 0.87 -2.11 -3.45 113.55 103.78 1x5c h SER 2 Ca 0.00 0.19 -0.38 0.00 -1.23 0.00 0.00 61.79 60.37 1x5c h SER 2 Cb 0.00 0.45 0.12 0.00 -0.44 0.00 0.00 62.40 62.53 1x5c h SER 2 CO 0.00 -0.26 -0.74 -1.20 -0.53 0.00 0.00 176.83 174.09 1x5c n SER 3 N -5.42 -3.82 0.00 6.23 7.64 -1.26 -4.99 113.62 112.00 1x5c n SER 3 Ca 0.04 -0.63 0.00 0.00 1.01 0.00 0.00 58.87 59.29 1x5c n SER 3 Cb 0.33 -4.83 0.00 0.00 -1.01 0.00 0.00 64.21 58.70 1x5c n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5c n GLY 4 N -1.57 4.20 3.42 0.23 0.00 -1.26 -5.08 105.19 105.13 1x5c n GLY 4 Ca -0.15 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 1x5c n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5c s SER 5 N 0.40 6.10 -0.31 1.61 0.15 -1.26 -5.04 113.70 115.34 1x5c s SER 5 Ca 0.00 -1.12 -0.06 0.00 0.70 0.00 0.00 55.95 55.48 1x5c s SER 5 Cb 0.00 -2.16 0.03 0.00 -1.71 0.00 0.00 66.02 62.18 1x5c s SER 5 CO 0.00 -0.54 0.07 -0.55 1.20 0.00 0.00 173.24 173.42 1x5c s SER 6 N 2.11 5.13 0.39 5.45 0.15 -1.26 -5.10 113.70 120.57 1x5c s SER 6 Ca 0.04 -0.98 -0.14 0.00 0.70 0.00 0.00 55.95 55.58 1x5c s SER 6 Cb -0.22 -1.84 -0.08 0.00 -1.71 0.00 0.00 66.02 62.17 1x5c s SER 6 CO 0.08 -0.26 0.80 -0.83 1.20 0.00 0.00 173.24 174.23 1x5c s GLY 7 N 1.42 2.16 -0.02 9.45 0.00 -1.26 -5.01 107.32 114.05 1x5c s GLY 7 Ca -0.00 -0.00 -0.26 0.00 0.00 0.00 0.00 44.72 44.45 1x5c s GLY 7 CO 0.02 0.21 1.26 -0.56 0.00 0.00 0.00 173.10 174.02 1x5c h PRO 8 N 1.69 -0.02 -5.19 2.90 0.13 -1.90 -3.44 132.00 126.17 1x5c h PRO 8 Ca -0.48 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.98 1x5c h PRO 8 Cb 1.18 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.99 1x5c h PRO 8 CO 0.64 0.46 -0.85 0.54 -0.23 0.00 0.00 178.00 178.57 1x5c s VAL 9 N -4.25 2.28 0.49 1.56 0.11 -1.26 -3.11 120.40 116.22 1x5c s VAL 9 Ca -0.16 -0.90 -0.22 0.00 -2.93 0.00 0.00 61.98 57.77 1x5c s VAL 9 Cb 0.02 -1.93 -0.07 0.00 -1.53 0.00 0.00 36.38 32.86 1x5c s VAL 9 CO 0.67 0.54 1.16 -0.75 -3.33 0.00 0.00 175.10 173.38 1x5c s LYS 10 N 0.84 3.60 -0.36 1.54 2.36 -0.80 -4.78 119.74 122.15 1x5c s LYS 10 Ca -0.06 1.75 -0.11 0.00 -2.55 0.00 0.00 55.97 55.00 1x5c s LYS 10 Cb -0.15 -2.28 0.02 0.00 -1.05 0.00 0.00 37.83 34.37 1x5c s LYS 10 CO -0.02 -0.68 0.20 0.08 1.55 0.00 0.00 175.35 176.48 1x5c s VAL 11 N -1.60 4.62 0.27 4.02 1.01 -1.26 0.42 120.40 127.87 1x5c s VAL 11 Ca 0.67 -0.73 -0.20 0.00 0.00 0.00 0.00 61.98 61.72 1x5c s VAL 11 Cb -0.28 -3.52 -0.09 0.00 0.00 0.00 0.00 36.38 32.50 1x5c s VAL 11 CO 0.33 -0.16 0.77 -0.76 0.00 0.00 0.00 175.10 175.28 1x5c s LEU 12 N 1.58 4.27 0.17 3.92 1.43 0.42 -4.93 118.68 125.54 1x5c s LEU 12 Ca 0.03 1.46 0.07 0.00 -1.03 0.00 0.00 54.13 54.66 1x5c s LEU 12 Cb -0.19 -3.79 -0.04 0.00 0.03 0.00 0.00 46.19 42.20 1x5c s LEU 12 CO 0.07 -0.05 -0.14 0.68 0.23 0.00 0.00 176.35 177.14 1x5c s VAL 13 N -1.66 1.60 -1.50 -1.59 -7.23 -1.26 -4.52 120.40 104.24 1x5c s VAL 13 Ca 0.47 -2.05 0.05 0.00 -1.81 0.00 0.00 61.98 58.64 1x5c s VAL 13 Cb -0.15 -1.89 0.10 0.00 0.56 0.00 0.00 36.38 35.00 1x5c s VAL 13 CO 0.20 -0.53 0.99 0.61 -0.31 0.00 0.00 175.10 176.05 1x5c n GLY 14 N -0.07 -0.43 0.10 2.32 0.00 -1.26 0.22 105.19 106.07 1x5c n GLY 14 Ca -0.11 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 1x5c n GLY 14 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1x5c h LYS 15 N 0.00 0.00 0.00 1.61 1.63 -1.96 -3.41 116.57 114.45 1x5c h LYS 15 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1x5c h LYS 15 Cb 0.04 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 1x5c h LYS 15 CO 0.00 0.88 -0.20 0.27 -3.45 0.00 0.00 179.45 176.96 1x5c n ASN 16 N -4.48 1.97 0.02 4.20 6.94 -1.03 -4.86 115.26 118.02 1x5c n ASN 16 Ca -0.27 -3.19 -0.01 0.00 -0.02 0.00 0.00 54.58 51.09 1x5c n ASN 16 Cb 0.61 -0.43 -0.01 0.00 -2.36 0.00 0.00 39.78 37.58 1x5c n ASN 16 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 1x5c h PHE 17 N 0.29 -0.12 -0.98 -2.53 3.57 0.24 -1.99 116.94 115.41 1x5c h PHE 17 Ca -0.01 0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.68 1x5c h PHE 17 Cb 1.06 0.05 -0.09 0.00 2.79 0.00 0.00 35.95 39.76 1x5c h PHE 17 CO 0.21 -0.05 0.61 0.93 -2.23 0.00 0.00 178.31 177.78 1x5c h GLU 18 N -0.07 0.66 -1.01 1.11 5.08 -1.89 0.59 114.58 119.06 1x5c h GLU 18 Ca -0.00 -0.04 0.18 0.00 -1.00 0.00 0.00 59.36 58.49 1x5c h GLU 18 Cb 0.07 -0.15 -0.10 0.00 0.50 0.00 0.00 28.75 29.06 1x5c h GLU 18 CO -0.02 0.44 0.62 -0.44 -1.00 0.00 0.00 179.01 178.61 1x5c h ASP 19 N 0.68 0.82 0.36 1.42 5.19 -1.78 0.69 116.42 123.80 1x5c h ASP 19 Ca 0.54 0.09 -0.07 0.00 -0.62 0.00 0.00 57.03 56.96 1x5c h ASP 19 Cb 0.94 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.37 1x5c h ASP 19 CO -0.31 0.32 -1.70 0.52 -3.12 0.00 0.00 179.24 174.95 1x5c n VAL 20 N -4.73 0.51 -0.02 -1.35 0.31 0.14 -4.25 118.33 108.94 1x5c n VAL 20 Ca 0.23 -0.59 -0.01 0.00 -0.01 0.00 0.00 64.34 63.96 1x5c n VAL 20 Cb 0.53 -0.26 -0.00 0.00 -0.91 0.00 0.00 33.84 33.20 1x5c n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x5c h ALA 21 N 1.79 -0.04 -0.10 3.52 0.00 0.12 -3.36 119.26 121.19 1x5c h ALA 21 Ca -0.09 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.59 1x5c h ALA 21 Cb 1.25 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 1x5c h ALA 21 CO 0.01 -0.04 -0.20 1.19 0.00 0.00 0.00 179.25 180.21 1x5c n PHE 22 N -4.07 0.30 -2.91 0.00 3.72 0.23 -4.55 117.46 110.18 1x5c n PHE 22 Ca -0.00 -1.53 -0.42 0.00 -0.05 0.00 0.00 57.45 55.44 1x5c n PHE 22 Cb 0.01 -1.43 -0.05 0.00 -0.94 0.00 0.00 39.48 37.08 1x5c n PHE 22 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1x5c s ASP 23 N 1.69 6.67 0.85 4.37 -1.08 -1.26 -4.90 116.67 123.01 1x5c s ASP 23 Ca 0.58 0.64 -0.10 0.00 -0.52 0.00 0.00 52.55 53.14 1x5c s ASP 23 Cb 0.29 -2.42 0.11 0.00 -1.46 0.00 0.00 42.92 39.44 1x5c s ASP 23 CO -0.04 -0.68 1.13 -0.70 0.52 0.00 0.00 175.17 175.40 1x5c s GLU 24 N 3.09 1.53 -0.82 4.34 2.12 -1.26 -2.79 118.70 124.89 1x5c s GLU 24 Ca 0.34 1.43 0.00 0.00 0.36 0.00 0.00 54.97 57.09 1x5c s GLU 24 Cb -0.14 -1.79 0.00 0.00 0.26 0.00 0.00 34.13 32.46 1x5c s GLU 24 CO 0.14 -2.23 0.00 1.63 -0.54 0.00 0.00 175.26 174.26 1x5c n LYS 25 N -3.89 -2.25 -3.66 4.30 4.01 -1.22 -4.89 118.16 110.56 1x5c n LYS 25 Ca 0.11 0.47 -0.07 0.00 -0.51 0.00 0.00 58.31 58.30 1x5c n LYS 25 Cb 0.52 -4.99 -0.08 0.00 -0.51 0.00 0.00 35.03 29.98 1x5c n LYS 25 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1x5c s LYS 26 N -4.71 0.54 -0.59 1.97 2.47 -1.12 -4.88 119.74 113.42 1x5c s LYS 26 Ca 0.00 1.12 -0.19 0.00 -1.56 0.00 0.00 55.97 55.34 1x5c s LYS 26 Cb 0.00 0.25 0.10 0.00 -1.46 0.00 0.00 37.83 36.72 1x5c s LYS 26 CO 0.00 -0.18 0.70 -0.80 0.16 0.00 0.00 175.35 175.24 1x5c s ASN 27 N 1.94 6.19 -0.22 1.43 0.01 0.31 -3.76 114.94 120.82 1x5c s ASN 27 Ca -0.08 -1.38 -0.09 0.00 -0.71 0.00 0.00 52.86 50.60 1x5c s ASN 27 Cb -0.08 -2.30 -0.05 0.00 0.41 0.00 0.00 41.25 39.23 1x5c s ASN 27 CO -0.17 -1.10 0.12 -0.69 -1.51 0.00 0.00 177.10 173.75 1x5c s VAL 28 N 2.71 5.10 -0.49 1.60 1.01 -0.52 -0.57 120.40 129.24 1x5c s VAL 28 Ca 0.12 0.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.10 1x5c s VAL 28 Cb -0.24 -3.36 0.13 0.00 0.00 0.00 0.00 36.38 32.91 1x5c s VAL 28 CO 0.07 0.38 0.35 0.12 0.00 0.00 0.00 175.10 176.02 1x5c s PHE 29 N 0.92 3.46 0.55 5.22 5.36 -0.62 0.15 117.98 133.02 1x5c s PHE 29 Ca 0.06 -2.00 -0.09 0.00 -0.96 0.00 0.00 56.93 53.95 1x5c s PHE 29 Cb -0.13 -3.46 -0.04 0.00 -0.34 0.00 0.00 43.02 39.04 1x5c s PHE 29 CO 0.03 -0.98 0.92 0.08 -1.46 0.00 0.00 175.22 173.80 1x5c s VAL 30 N 1.19 4.79 -0.23 3.12 1.01 0.05 -1.76 120.40 128.57 1x5c s VAL 30 Ca 0.07 0.60 -0.04 0.00 0.00 0.00 0.00 61.98 62.61 1x5c s VAL 30 Cb -0.25 -3.86 0.08 0.00 0.00 0.00 0.00 36.38 32.35 1x5c s VAL 30 CO -0.02 -0.99 0.10 -0.70 0.00 0.00 0.00 175.10 173.50 1x5c s GLU 31 N -4.91 0.21 -0.64 2.72 2.12 -0.75 -1.61 118.70 115.84 1x5c s GLU 31 Ca 0.52 -0.37 -0.27 0.00 0.36 0.00 0.00 54.97 55.20 1x5c s GLU 31 Cb -0.11 -1.57 0.03 0.00 0.26 0.00 0.00 34.13 32.74 1x5c s GLU 31 CO 0.49 -0.84 1.20 -0.06 -0.54 0.00 0.00 175.26 175.51 1x5c s PHE 32 N 2.06 2.49 0.45 5.30 0.40 0.46 -2.17 117.98 126.98 1x5c s PHE 32 Ca 0.05 0.18 0.07 0.00 -0.60 0.00 0.00 56.93 56.64 1x5c s PHE 32 Cb -0.16 -4.53 -0.01 0.00 0.51 0.00 0.00 43.02 38.83 1x5c s PHE 32 CO -0.22 -1.76 0.33 1.52 0.70 0.00 0.00 175.22 175.79 1x5c s TYR 33 N 5.17 2.39 -0.04 0.36 -0.85 -1.01 -0.52 117.35 122.85 1x5c s TYR 33 Ca 0.39 -0.61 0.04 0.00 -0.52 0.00 0.00 57.07 56.36 1x5c s TYR 33 Cb -0.08 -2.05 -0.00 0.00 0.38 0.00 0.00 41.96 40.21 1x5c s TYR 33 CO 0.21 -0.14 -0.14 0.00 -1.52 0.00 0.00 175.55 173.96 1x5c s ALA 34 N -2.59 1.27 -1.56 9.51 0.00 -1.26 -3.27 121.76 123.86 1x5c s ALA 34 Ca 0.43 -0.55 0.15 0.00 0.00 0.00 0.00 51.96 51.99 1x5c s ALA 34 Cb -0.01 -0.43 0.79 0.00 0.00 0.00 0.00 23.12 23.47 1x5c s ALA 34 CO 0.25 0.22 1.39 -0.35 0.00 0.00 0.00 175.76 177.28 1x5c n PRO 35 N 3.20 0.27 0.00 0.00 -0.04 -1.26 -2.40 135.00 134.77 1x5c n PRO 35 Ca -0.18 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1x5c n PRO 35 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1x5c n PRO 35 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1x5c n TRP 36 N -1.22 0.00 -2.28 0.54 4.27 -1.26 -4.99 117.44 112.50 1x5c n TRP 36 Ca 0.08 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.26 1x5c n TRP 36 Cb 0.10 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.03 1x5c n TRP 36 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x5c h GLY 38 N 12.53 1.66 0.71 0.00 0.00 -1.94 0.69 103.07 116.71 1x5c h GLY 38 Ca -0.29 -0.28 0.07 0.00 0.00 0.00 0.00 47.33 46.83 1x5c h GLY 38 CO 1.08 -0.14 0.64 0.45 0.00 0.00 0.00 176.54 178.56 1x5c h HIS 39 N 0.61 1.18 -0.16 5.60 3.86 -1.92 -2.35 115.15 121.96 1x5c h HIS 39 Ca 0.56 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.82 1x5c h HIS 39 Cb 0.94 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 1x5c h HIS 39 CO -0.06 0.59 0.05 0.00 0.86 0.00 0.00 177.93 179.37 1x5c h LYS 41 N 0.12 0.00 0.00 0.00 1.57 -1.25 1.76 116.57 118.78 1x5c h LYS 41 Ca 0.07 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.63 1x5c h LYS 41 Cb 0.05 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1x5c h LYS 41 CO -0.08 0.00 -1.65 1.04 -0.57 0.00 0.00 179.45 178.19 1x5c n GLN 42 N -3.46 0.63 0.18 3.15 1.13 -0.59 -3.99 117.38 114.45 1x5c n GLN 42 Ca 0.19 0.20 0.12 0.00 -1.94 0.00 0.00 57.00 55.57 1x5c n GLN 42 Cb 1.25 -1.75 0.22 0.00 0.11 0.00 0.00 30.24 30.07 1x5c n GLN 42 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1x5c h LEU 43 N 0.00 0.00 -0.23 1.08 5.85 0.29 -3.31 115.31 118.99 1x5c h LEU 43 Ca -0.24 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.53 1x5c h LEU 43 Cb 1.78 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.73 1x5c h LEU 43 CO 0.05 0.00 -0.29 0.00 -0.34 0.00 0.00 178.44 177.87 1x5c h ALA 44 N 2.14 -0.23 -0.01 1.25 0.00 -0.84 0.49 119.26 122.07 1x5c h ALA 44 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1x5c h ALA 44 Cb 0.93 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 1x5c h ALA 44 CO 0.00 -0.72 -0.01 -1.00 0.00 0.00 0.00 179.25 177.51 1x5c h PRO 45 N -0.30 0.04 -0.96 0.00 0.13 -1.80 -1.76 132.00 127.34 1x5c h PRO 45 Ca 0.13 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 65.32 1x5c h PRO 45 Cb 0.51 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.56 1x5c h PRO 45 CO -0.40 0.52 0.61 0.82 -0.23 0.00 0.00 178.00 179.31 1x5c h ILE 46 N -0.44 1.01 -0.30 -3.56 2.04 -1.61 0.30 117.51 114.94 1x5c h ILE 46 Ca 0.00 -0.36 -0.17 0.00 1.00 0.00 0.00 64.86 65.33 1x5c h ILE 46 Cb 0.51 -0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1x5c h ILE 46 CO 0.00 0.19 -0.50 -0.25 0.00 0.00 0.00 178.15 177.59 1x5c h TRP 47 N 1.05 1.03 0.00 1.37 2.91 -0.03 -2.47 115.95 119.81 1x5c h TRP 47 Ca 0.44 -0.35 -0.10 0.00 1.13 0.00 0.00 58.89 60.01 1x5c h TRP 47 Cb 0.29 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.72 1x5c h TRP 47 CO -0.01 1.16 -0.48 0.22 -1.03 0.00 0.00 178.44 178.30 1x5c h ASP 48 N 0.65 0.00 1.08 2.65 1.82 -0.44 -0.82 116.42 121.36 1x5c h ASP 48 Ca 0.03 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.56 1x5c h ASP 48 Cb 1.09 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.09 1x5c h ASP 48 CO 0.11 0.48 -0.52 0.11 -1.61 0.00 0.00 179.24 177.81 1x5c h LYS 49 N 0.00 0.00 0.11 0.28 1.57 -0.33 -3.12 116.57 115.08 1x5c h LYS 49 Ca -0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.45 1x5c h LYS 49 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 1x5c h LYS 49 CO 0.06 0.52 -1.70 1.25 -0.57 0.00 0.00 179.45 179.01 1x5c h LEU 50 N 0.00 0.36 -0.69 2.94 5.85 -1.19 -3.34 115.31 119.23 1x5c h LEU 50 Ca -0.01 -0.60 0.01 0.00 0.84 0.00 0.00 57.88 58.13 1x5c h LEU 50 Cb 1.20 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 1x5c h LEU 50 CO 0.07 1.52 0.45 1.23 -0.34 0.00 0.00 178.44 181.37 1x5c h GLY 51 N 1.72 0.98 2.00 3.75 0.00 -1.19 -1.69 103.07 108.64 1x5c h GLY 51 Ca -0.31 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 46.65 1x5c h GLY 51 CO 0.13 0.34 -0.09 1.05 0.00 0.00 0.00 176.54 177.97 1x5c h GLU 52 N 0.92 0.00 -0.39 4.80 4.11 -1.48 0.16 114.58 122.71 1x5c h GLU 52 Ca 0.26 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.57 1x5c h GLU 52 Cb -0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1x5c h GLU 52 CO -0.07 0.09 -0.25 1.15 0.07 0.00 0.00 179.01 179.99 1x5c h THR 53 N 0.00 1.27 -0.32 -1.06 2.02 -1.43 -3.18 112.91 110.21 1x5c h THR 53 Ca -0.00 -1.39 -0.21 0.00 0.77 0.00 0.00 66.41 65.58 1x5c h THR 53 Cb 0.18 1.25 -0.15 0.00 -1.74 0.00 0.00 68.15 67.69 1x5c h THR 53 CO 0.01 0.46 -0.40 -1.22 0.37 0.00 0.00 175.52 174.75 1x5c n TYR 54 N -4.10 1.10 0.09 3.16 4.02 -0.80 -4.67 117.16 115.95 1x5c n TYR 54 Ca -0.00 -1.77 -0.08 0.00 -0.01 0.00 0.00 57.90 56.04 1x5c n TYR 54 Cb 0.46 -0.39 -0.03 0.00 -0.02 0.00 0.00 39.34 39.35 1x5c n TYR 54 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1x5c h LYS 55 N 1.32 0.10 -0.16 -0.72 2.10 -0.68 -3.27 116.57 115.25 1x5c h LYS 55 Ca 0.18 -0.13 -0.03 0.00 -2.00 0.00 0.00 60.65 58.67 1x5c h LYS 55 Cb 1.32 0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 32.67 1x5c h LYS 55 CO 0.36 0.94 -0.06 -3.47 -2.00 0.00 0.00 179.45 175.22 1x5c n ASP 56 N -3.55 2.89 -3.13 7.07 2.03 -1.26 -5.00 116.55 115.59 1x5c n ASP 56 Ca -0.02 -3.27 -0.18 0.00 0.52 0.00 0.00 54.79 51.84 1x5c n ASP 56 Cb 0.85 -0.52 0.17 0.00 -0.72 0.00 0.00 41.12 40.89 1x5c n ASP 56 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1x5c n HIS 57 N -1.00 -3.23 -0.10 -0.67 -0.00 -1.23 -5.01 115.22 103.97 1x5c n HIS 57 Ca 0.22 -0.52 -0.14 0.00 0.46 0.00 0.00 57.72 57.74 1x5c n HIS 57 Cb 0.82 -0.72 -0.09 0.00 -0.12 0.00 0.00 29.99 29.88 1x5c n HIS 57 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1x5c n GLU 58 N -3.99 0.47 0.00 1.57 -0.00 -1.26 -4.81 120.64 112.62 1x5c n GLU 58 Ca 0.08 0.12 0.00 0.00 -0.00 0.00 0.00 57.16 57.36 1x5c n GLU 58 Cb 0.35 -1.37 0.00 0.00 -0.00 0.00 0.00 31.44 30.42 1x5c n GLU 58 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1x5c n ASN 59 N -3.12 4.48 -4.61 -1.84 0.23 -1.26 -4.96 115.26 104.18 1x5c n ASN 59 Ca -0.34 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.28 1x5c n ASN 59 Cb 0.85 0.49 -0.04 0.00 -2.08 0.00 0.00 39.78 39.01 1x5c n ASN 59 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1x5c s ILE 60 N -1.88 4.63 -0.25 1.53 1.01 -1.26 0.11 121.20 125.10 1x5c s ILE 60 Ca 0.00 1.23 -0.00 0.00 0.00 0.00 0.00 60.65 61.87 1x5c s ILE 60 Cb 0.00 -4.29 0.07 0.00 0.01 0.00 0.00 42.46 38.25 1x5c s ILE 60 CO 0.00 -0.46 0.00 -0.69 0.00 0.00 0.00 174.94 173.79 1x5c s VAL 61 N 3.35 1.24 0.29 2.92 1.01 0.26 -4.23 120.40 125.23 1x5c s VAL 61 Ca 0.37 -1.17 -0.28 0.00 0.00 0.00 0.00 61.98 60.89 1x5c s VAL 61 Cb -0.13 -1.66 -0.09 0.00 0.00 0.00 0.00 36.38 34.50 1x5c s VAL 61 CO 0.17 -0.26 0.99 -0.63 0.00 0.00 0.00 175.10 175.37 1x5c s ILE 62 N 1.51 3.93 0.08 2.22 -1.09 -1.26 -1.59 121.20 125.00 1x5c s ILE 62 Ca -0.01 1.80 -0.14 0.00 -2.23 0.00 0.00 60.65 60.06 1x5c s ILE 62 Cb -0.18 -4.09 0.02 0.00 -1.58 0.00 0.00 42.46 36.64 1x5c s ILE 62 CO -0.10 0.32 0.33 0.00 -1.23 0.00 0.00 174.94 174.26 1x5c s ALA 63 N -1.34 -0.74 0.02 9.38 0.00 -0.72 -1.90 121.76 126.46 1x5c s ALA 63 Ca 0.46 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.39 1x5c s ALA 63 Cb -0.25 0.47 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 1x5c s ALA 63 CO 0.32 -0.51 -0.11 -1.59 0.00 0.00 0.00 175.76 173.87 1x5c s LYS 64 N -3.16 0.76 0.02 0.00 -2.85 0.17 -1.80 119.74 112.87 1x5c s LYS 64 Ca -0.01 -0.59 0.00 0.00 -1.00 0.00 0.00 55.97 54.38 1x5c s LYS 64 Cb 0.01 -0.71 -0.02 0.00 -2.06 0.00 0.00 37.83 35.05 1x5c s LYS 64 CO -0.07 0.18 -0.03 1.41 0.10 0.00 0.00 175.35 176.94 1x5c s MET 65 N -0.87 0.25 -0.56 1.78 1.75 -0.92 -0.44 119.30 120.29 1x5c s MET 65 Ca -0.00 -0.46 -0.18 0.00 -1.25 0.00 0.00 55.69 53.79 1x5c s MET 65 Cb -0.07 0.05 0.10 0.00 2.84 0.00 0.00 34.83 37.75 1x5c s MET 65 CO 0.01 -0.03 0.63 0.34 -0.65 0.00 0.00 175.02 175.32 1x5c s ASP 66 N -1.09 6.19 0.58 1.11 2.15 -1.26 -2.41 116.67 121.93 1x5c s ASP 66 Ca -0.11 -1.43 0.38 0.00 0.43 0.00 0.00 52.55 51.81 1x5c s ASP 66 Cb -0.07 -2.27 1.90 0.00 -0.30 0.00 0.00 42.92 42.17 1x5c s ASP 66 CO -0.01 -1.01 2.15 -1.28 -0.17 0.00 0.00 175.17 174.86 1x5c h SER 67 N 9.08 0.00 1.00 -0.34 0.87 -1.70 0.78 113.55 123.24 1x5c h SER 67 Ca -0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1x5c h SER 67 Cb 1.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1x5c h SER 67 CO 1.06 0.00 -0.58 0.71 -0.53 0.00 0.00 176.83 177.49 1x5c h THR 68 N 0.00 0.00 0.00 2.23 1.35 -1.91 -3.35 112.91 111.24 1x5c h THR 68 Ca 0.00 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1x5c h THR 68 Cb 0.19 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1x5c h THR 68 CO 0.00 0.00 -1.28 0.00 -0.25 0.00 0.00 175.52 173.99 1x5c n ALA 69 N -1.88 2.37 -3.10 6.62 0.00 -0.26 -5.00 120.51 119.25 1x5c n ALA 69 Ca 0.03 -0.20 -0.15 0.00 0.00 0.00 0.00 53.44 53.13 1x5c n ALA 69 Cb 0.46 -0.28 -0.15 0.00 0.00 0.00 0.00 19.45 19.48 1x5c n ALA 69 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1x5c s ASN 70 N -2.83 0.31 0.02 0.00 0.01 0.26 -4.98 114.94 107.73 1x5c s ASN 70 Ca -0.02 -0.04 0.06 0.00 -0.71 0.00 0.00 52.86 52.15 1x5c s ASN 70 Cb 0.05 -0.09 -0.02 0.00 0.41 0.00 0.00 41.25 41.61 1x5c s ASN 70 CO 0.34 -0.01 -0.17 -0.70 -1.51 0.00 0.00 177.10 175.05 1x5c s GLU 71 N 0.28 1.23 -0.06 -0.60 2.12 -1.26 -4.08 118.70 116.34 1x5c s GLU 71 Ca -0.03 -0.72 -0.07 0.00 0.36 0.00 0.00 54.97 54.51 1x5c s GLU 71 Cb -0.05 -1.25 0.02 0.00 0.26 0.00 0.00 34.13 33.11 1x5c s GLU 71 CO -0.01 0.33 0.18 0.14 -0.54 0.00 0.00 175.26 175.36 1x5c s VAL 72 N -0.62 0.01 0.23 3.70 -7.23 -1.26 -4.90 120.40 110.33 1x5c s VAL 72 Ca 0.05 -0.12 0.02 0.00 -1.81 0.00 0.00 61.98 60.12 1x5c s VAL 72 Cb -0.07 -0.30 -0.03 0.00 0.56 0.00 0.00 36.38 36.54 1x5c s VAL 72 CO 0.01 -0.07 1.57 1.05 -0.31 0.00 0.00 175.10 177.35 1x5c h GLU 73 N 5.56 0.36 0.00 4.82 4.11 -2.01 -2.79 114.58 124.64 1x5c h GLU 73 Ca -0.26 -0.22 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1x5c h GLU 73 Cb 1.20 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1x5c h GLU 73 CO 0.39 0.81 0.00 0.00 0.07 0.00 0.00 179.01 180.29 1x5c h ALA 74 N 1.15 1.00 -2.40 1.06 0.00 -2.01 -3.37 119.26 114.69 1x5c h ALA 74 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 1x5c h ALA 74 Cb 1.04 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.50 1x5c h ALA 74 CO 0.09 -0.00 -0.54 0.08 0.00 0.00 0.00 179.25 178.88 1x5c s VAL 75 N -3.72 -0.46 -0.43 0.00 1.01 -1.05 -4.99 120.40 110.76 1x5c s VAL 75 Ca -0.03 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 1x5c s VAL 75 Cb 0.08 -0.67 0.06 0.00 0.00 0.00 0.00 36.38 35.86 1x5c s VAL 75 CO 0.26 -0.09 0.30 -0.54 0.00 0.00 0.00 175.10 175.03 1x5c s LYS 76 N 2.44 2.79 -0.35 2.72 -0.14 -1.26 -4.25 119.74 121.69 1x5c s LYS 76 Ca 0.07 -1.33 -0.11 0.00 -1.36 0.00 0.00 55.97 53.24 1x5c s LYS 76 Cb -0.15 -3.90 0.01 0.00 -1.68 0.00 0.00 37.83 32.11 1x5c s LYS 76 CO -0.12 -0.92 0.20 0.08 -0.76 0.00 0.00 175.35 173.82 1x5c s VAL 77 N 1.53 4.72 -0.28 3.17 1.01 -1.26 -4.94 120.40 124.35 1x5c s VAL 77 Ca 0.03 -0.61 0.11 0.00 0.00 0.00 0.00 61.98 61.51 1x5c s VAL 77 Cb -0.22 -3.52 0.56 0.00 0.00 0.00 0.00 36.38 33.19 1x5c s VAL 77 CO 0.05 -0.10 1.55 1.41 0.00 0.00 0.00 175.10 178.00 1x5c n HIS 78 N 5.02 1.44 -3.61 5.22 8.25 -1.26 -4.99 115.22 125.28 1x5c n HIS 78 Ca -0.13 -1.38 -0.05 0.00 -0.26 0.00 0.00 57.72 55.90 1x5c n HIS 78 Cb 0.48 -0.52 -0.02 0.00 1.12 0.00 0.00 29.99 31.05 1x5c n HIS 78 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1x5c s SER 79 N -2.05 -0.25 -0.02 0.41 0.01 -1.26 -5.19 113.70 105.35 1x5c s SER 79 Ca 0.47 -0.15 -0.30 0.00 1.31 0.00 0.00 55.95 57.28 1x5c s SER 79 Cb 0.40 0.38 0.07 0.00 0.21 0.00 0.00 66.02 67.08 1x5c s SER 79 CO 0.05 -0.65 0.68 -0.36 0.41 0.00 0.00 173.24 173.37 1x5c s PHE 80 N -3.04 -0.63 0.43 2.43 0.08 -1.26 -4.09 117.98 111.89 1x5c s PHE 80 Ca 0.09 0.98 -0.24 0.00 0.12 0.00 0.00 56.93 57.88 1x5c s PHE 80 Cb -0.01 0.43 -0.08 0.00 -0.57 0.00 0.00 43.02 42.80 1x5c s PHE 80 CO -0.04 -0.64 1.18 -1.25 -0.10 0.00 0.00 175.22 174.37 1x5c s PRO 81 N -1.59 3.91 -0.05 0.24 0.04 -1.26 -4.94 135.00 131.36 1x5c s PRO 81 Ca -0.09 1.83 0.04 0.00 0.04 0.00 0.00 61.00 62.83 1x5c s PRO 81 Cb -0.00 -2.56 -0.00 0.00 0.04 0.00 0.00 34.50 31.97 1x5c s PRO 81 CO 0.06 -0.44 -0.17 0.99 0.04 0.00 0.00 177.00 177.48 1x5c s THR 82 N -1.46 1.46 -0.06 1.26 2.01 0.32 -5.02 115.64 114.15 1x5c s THR 82 Ca 0.60 -0.73 0.05 0.00 0.31 0.00 0.00 61.69 61.93 1x5c s THR 82 Cb -0.30 -1.26 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 1x5c s THR 82 CO 0.38 0.42 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.73 1x5c s LEU 83 N 0.08 2.16 -0.07 4.42 1.43 -1.26 0.17 118.68 125.61 1x5c s LEU 83 Ca -0.05 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 1x5c s LEU 83 Cb -0.12 -1.40 0.02 0.00 0.03 0.00 0.00 46.19 44.71 1x5c s LEU 83 CO 0.03 0.24 -0.09 -0.54 0.23 0.00 0.00 176.35 176.22 1x5c s LYS 84 N -0.14 1.45 -0.27 1.70 1.02 -0.64 -3.23 119.74 119.63 1x5c s LYS 84 Ca -0.04 -0.29 -0.10 0.00 0.02 0.00 0.00 55.97 55.55 1x5c s LYS 84 Cb -0.14 -1.32 -0.05 0.00 -0.52 0.00 0.00 37.83 35.80 1x5c s LYS 84 CO 0.04 -0.08 0.17 0.12 -0.92 0.00 0.00 175.35 174.68 1x5c s PHE 85 N 1.02 3.22 -0.42 3.18 2.19 -0.39 -0.77 117.98 126.00 1x5c s PHE 85 Ca -0.08 0.06 -0.14 0.00 0.33 0.00 0.00 56.93 57.10 1x5c s PHE 85 Cb -0.15 -2.34 0.04 0.00 -1.31 0.00 0.00 43.02 39.27 1x5c s PHE 85 CO -0.00 -0.15 0.31 -0.06 1.83 0.00 0.00 175.22 177.15 1x5c s PHE 86 N 1.60 3.25 1.05 10.12 0.40 0.12 -0.04 117.98 134.48 1x5c s PHE 86 Ca 0.07 -0.83 -0.14 0.00 -0.60 0.00 0.00 56.93 55.43 1x5c s PHE 86 Cb -0.15 -2.75 0.21 0.00 0.51 0.00 0.00 43.02 40.84 1x5c s PHE 86 CO 0.09 -0.68 1.10 -1.25 0.70 0.00 0.00 175.22 175.17 1x5c s PRO 87 N 1.62 0.01 -0.06 0.24 0.04 -1.26 -1.43 135.00 134.16 1x5c s PRO 87 Ca 0.04 0.38 -0.01 0.00 0.04 0.00 0.00 61.00 61.45 1x5c s PRO 87 Cb -0.21 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 1x5c s PRO 87 CO 0.08 -2.98 2.34 0.00 0.04 0.00 0.00 177.00 176.47 1x5c n ALA 88 N -4.33 4.70 -2.78 8.56 0.00 -1.25 -4.68 120.51 120.74 1x5c n ALA 88 Ca 0.06 -0.70 -0.35 0.00 0.00 0.00 0.00 53.44 52.46 1x5c n ALA 88 Cb 0.58 -1.34 -0.09 0.00 0.00 0.00 0.00 19.45 18.60 1x5c n ALA 88 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1x5c s SER 89 N 1.67 5.57 -0.08 0.00 1.04 -1.26 -3.38 113.70 117.27 1x5c s SER 89 Ca 0.19 0.19 0.03 0.00 0.48 0.00 0.00 55.95 56.83 1x5c s SER 89 Cb 0.11 -1.75 0.19 0.00 0.10 0.00 0.00 66.02 64.67 1x5c s SER 89 CO -0.01 0.32 0.94 0.00 0.98 0.00 0.00 173.24 175.48 1x5c n ALA 90 N 2.54 2.98 -1.49 5.32 0.00 -1.26 -3.88 120.51 124.71 1x5c n ALA 90 Ca -0.18 -0.55 -0.12 0.00 0.00 0.00 0.00 53.44 52.59 1x5c n ALA 90 Cb 0.53 -1.06 0.16 0.00 0.00 0.00 0.00 19.45 19.09 1x5c n ALA 90 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1x5c n ASP 91 N 0.14 3.39 -3.90 0.00 8.00 -1.26 -4.95 116.55 117.97 1x5c n ASP 91 Ca 0.09 -3.77 -0.24 0.00 0.71 0.00 0.00 54.79 51.57 1x5c n ASP 91 Cb 0.58 -0.66 -0.07 0.00 -0.02 0.00 0.00 41.12 40.95 1x5c n ASP 91 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1x5c n ARG 92 N -1.06 -0.92 -3.61 -1.24 1.74 -1.25 -4.88 116.66 105.44 1x5c n ARG 92 Ca 0.41 0.06 -0.35 0.00 -0.77 0.00 0.00 57.85 57.20 1x5c n ARG 92 Cb 1.07 -2.68 -0.05 0.00 -1.02 0.00 0.00 32.46 29.77 1x5c n ARG 92 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1x5c s THR 93 N -4.05 5.13 -0.09 0.55 2.01 -1.26 -5.09 115.64 112.83 1x5c s THR 93 Ca 0.02 0.41 -0.00 0.00 0.31 0.00 0.00 61.69 62.43 1x5c s THR 93 Cb -0.01 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.89 1x5c s THR 93 CO 0.77 0.32 -0.07 -0.69 -0.69 0.00 0.00 174.62 174.26 1x5c s VAL 94 N -1.36 0.89 0.12 3.82 1.01 -1.26 -4.21 120.40 119.40 1x5c s VAL 94 Ca 0.31 -0.23 -0.18 0.00 0.00 0.00 0.00 61.98 61.89 1x5c s VAL 94 Cb -0.14 -0.91 -0.07 0.00 0.00 0.00 0.00 36.38 35.26 1x5c s VAL 94 CO 0.17 0.34 0.59 -0.63 0.00 0.00 0.00 175.10 175.57 1x5c s ILE 95 N 1.55 4.75 -0.24 2.22 1.01 0.94 -4.93 121.20 126.50 1x5c s ILE 95 Ca 0.01 1.11 -0.19 0.00 0.00 0.00 0.00 60.65 61.58 1x5c s ILE 95 Cb -0.13 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1x5c s ILE 95 CO -0.05 0.41 0.54 1.51 0.00 0.00 0.00 174.94 177.35 1x5c s ASP 96 N -1.38 6.51 -0.26 3.58 -4.77 -1.26 -1.26 116.67 117.83 1x5c s ASP 96 Ca 0.34 0.62 -0.25 0.00 -3.30 0.00 0.00 52.55 49.95 1x5c s ASP 96 Cb -0.18 -2.30 -0.00 0.00 -1.09 0.00 0.00 42.92 39.35 1x5c s ASP 96 CO 0.19 -0.27 0.87 -0.47 0.70 0.00 0.00 175.17 176.20 1x5c s TYR 97 N 2.12 3.28 -0.45 2.11 6.14 -1.20 -4.96 117.35 124.40 1x5c s TYR 97 Ca 0.23 1.13 0.09 0.00 0.64 0.00 0.00 57.07 59.17 1x5c s TYR 97 Cb -0.16 -3.16 0.32 0.00 0.42 0.00 0.00 41.96 39.39 1x5c s TYR 97 CO 0.09 -0.47 0.75 0.27 0.64 0.00 0.00 175.55 176.84 1x5c n ASN 98 N 6.15 1.86 0.00 4.32 0.23 -1.26 -4.78 115.26 121.78 1x5c n ASN 98 Ca 0.07 -3.16 0.00 0.00 -0.53 0.00 0.00 54.58 50.95 1x5c n ASN 98 Cb 0.47 -0.61 0.00 0.00 -2.08 0.00 0.00 39.78 37.56 1x5c n ASN 98 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1x5c n GLY 99 N 0.37 4.74 0.15 4.83 0.00 -1.26 -5.00 105.19 109.02 1x5c n GLY 99 Ca 0.26 -1.85 0.13 0.00 0.00 0.00 0.00 46.02 44.56 1x5c n GLY 99 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1x5c h GLU 100 N 0.00 0.00 -5.32 1.61 9.09 -1.98 -3.47 114.58 114.51 1x5c h GLU 100 Ca 0.00 0.00 -0.39 0.00 0.05 0.00 0.00 59.36 59.02 1x5c h GLU 100 Cb 0.00 0.00 0.12 0.00 -1.65 0.00 0.00 28.75 27.22 1x5c h GLU 100 CO 0.00 0.00 -0.64 -2.13 0.05 0.00 0.00 179.01 176.29 1x5c n ARG 101 N -2.44 -6.96 -4.42 1.06 0.63 -1.26 -5.00 116.66 98.27 1x5c n ARG 101 Ca 0.03 0.82 -0.24 0.00 -0.92 0.00 0.00 57.85 57.54 1x5c n ARG 101 Cb 0.33 -5.74 -0.09 0.00 0.45 0.00 0.00 32.46 27.41 1x5c n ARG 101 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1x5c s THR 102 N -3.27 2.61 0.17 5.15 -4.23 -1.26 -4.98 115.64 109.83 1x5c s THR 102 Ca 0.50 -2.15 -0.15 0.00 -1.18 0.00 0.00 61.69 58.70 1x5c s THR 102 Cb -0.22 -2.61 0.10 0.00 1.34 0.00 0.00 72.50 71.10 1x5c s THR 102 CO 0.62 -0.29 1.69 0.25 -0.54 0.00 0.00 174.62 176.35 1x5c h LEU 103 N 2.01 -0.20 -0.28 4.79 5.85 -1.95 0.19 115.31 125.72 1x5c h LEU 103 Ca -0.42 0.10 -0.21 0.00 0.84 0.00 0.00 57.88 58.20 1x5c h LEU 103 Cb 1.25 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.47 1x5c h LEU 103 CO 0.65 -0.06 -0.80 -0.78 -0.34 0.00 0.00 178.44 177.11 1x5c h ASP 104 N 0.10 0.63 -0.18 1.25 3.58 -1.96 -3.19 116.42 116.65 1x5c h ASP 104 Ca 0.21 -0.43 -0.03 0.00 0.42 0.00 0.00 57.03 57.20 1x5c h ASP 104 Cb 0.31 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 1x5c h ASP 104 CO -0.37 1.20 0.02 1.23 -2.88 0.00 0.00 179.24 178.44 1x5c h GLY 105 N 1.05 0.44 0.87 -0.78 0.00 -1.74 -2.81 103.07 100.09 1x5c h GLY 105 Ca -0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 1x5c h GLY 105 CO 0.14 0.22 -0.00 0.74 0.00 0.00 0.00 176.54 177.64 1x5c h PHE 106 N 0.40 0.52 -0.97 5.60 0.04 -0.64 -2.92 116.94 118.97 1x5c h PHE 106 Ca 0.09 -0.09 0.12 0.00 2.80 0.00 0.00 57.97 60.90 1x5c h PHE 106 Cb 0.23 -0.14 -0.09 0.00 2.20 0.00 0.00 35.95 38.16 1x5c h PHE 106 CO 0.01 0.63 0.60 0.87 -0.60 0.00 0.00 178.31 179.82 1x5c h LYS 107 N 0.26 0.90 -0.59 1.51 1.57 -1.51 -0.30 116.57 118.43 1x5c h LYS 107 Ca 0.08 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1x5c h LYS 107 Cb 0.42 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1x5c h LYS 107 CO 0.01 0.60 0.32 0.87 -0.57 0.00 0.00 179.45 180.68 1x5c h LYS 108 N 0.93 0.82 -0.29 3.15 1.57 -1.39 0.30 116.57 121.66 1x5c h LYS 108 Ca 0.49 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 59.13 1x5c h LYS 108 Cb 0.52 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1x5c h LYS 108 CO -0.28 0.63 0.03 0.35 -0.57 0.00 0.00 179.45 179.61 1x5c h PHE 109 N 0.80 0.54 0.55 -1.35 3.57 -1.04 -2.78 116.94 117.22 1x5c h PHE 109 Ca 0.21 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1x5c h PHE 109 Cb 0.05 -0.14 0.01 0.00 2.79 0.00 0.00 35.95 38.65 1x5c h PHE 109 CO -0.01 0.61 -0.26 -0.07 -2.23 0.00 0.00 178.31 176.34 1x5c h LEU 110 N 0.31 -0.63 -0.97 0.59 3.38 -0.91 -1.82 115.31 115.26 1x5c h LEU 110 Ca 0.09 0.02 0.39 0.00 0.09 0.00 0.00 57.88 58.47 1x5c h LEU 110 Cb 0.38 0.16 -0.17 0.00 0.09 0.00 0.00 40.66 41.11 1x5c h LEU 110 CO 0.01 -0.30 0.48 -0.62 0.09 0.00 0.00 178.44 178.10 1x5c n GLU 111 N -4.80 -0.06 -0.09 1.13 1.02 0.11 0.23 120.64 118.18 1x5c n GLU 111 Ca -0.09 1.34 -0.07 0.00 -0.02 0.00 0.00 57.16 58.32 1x5c n GLU 111 Cb 0.29 -2.39 0.10 0.00 -0.02 0.00 0.00 31.44 29.43 1x5c n GLU 111 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1x5c h SER 112 N 0.00 0.77 0.00 1.62 0.02 -1.45 -3.47 113.55 111.04 1x5c h SER 112 Ca 0.80 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 1x5c h SER 112 Cb 2.10 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.43 1x5c h SER 112 CO -0.76 0.95 0.00 0.61 -1.14 0.00 0.00 176.83 176.49 1x5c n GLY 113 N -0.31 1.89 0.55 -3.77 0.00 0.64 -4.73 105.19 99.46 1x5c n GLY 113 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1x5c n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5c n GLY 114 N -0.61 0.64 3.34 -0.02 0.00 -0.71 -5.03 105.19 102.80 1x5c n GLY 114 Ca 0.00 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 1x5c n GLY 114 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x5c s GLN 115 N -1.70 3.41 -0.05 1.61 -0.21 -1.24 -4.97 119.66 116.52 1x5c s GLN 115 Ca 0.00 -0.61 -0.05 0.00 0.02 0.00 0.00 55.36 54.72 1x5c s GLN 115 Cb 0.00 -2.99 -0.03 0.00 1.00 0.00 0.00 33.01 30.99 1x5c s GLN 115 CO 0.00 -0.13 -0.11 0.45 -2.12 0.00 0.00 175.29 173.38 1x5c n SER 116 N 4.61 0.92 -0.51 5.90 2.88 -1.26 -4.79 113.62 121.37 1x5c n SER 116 Ca -0.18 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1x5c n SER 116 Cb 0.51 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 1x5c n SER 116 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5c n GLY 117 N 2.63 1.62 3.58 0.46 0.00 -1.26 -5.07 105.19 107.15 1x5c n GLY 117 Ca -0.12 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 44.82 1x5c n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5c s PRO 118 N -0.54 2.50 -0.88 1.61 0.04 -1.26 -4.90 135.00 131.57 1x5c s PRO 118 Ca 0.00 -1.11 -0.24 0.00 0.04 0.00 0.00 61.00 59.69 1x5c s PRO 118 Cb 0.00 -5.23 0.05 0.00 0.04 0.00 0.00 34.50 29.36 1x5c s PRO 118 CO 0.00 -3.94 1.34 0.45 0.04 0.00 0.00 177.00 174.88 1x5c s SER 119 N 6.60 6.35 -1.65 6.66 0.15 -1.26 -4.28 113.70 126.26 1x5c s SER 119 Ca 0.68 -1.04 -0.20 0.00 0.70 0.00 0.00 55.95 56.10 1x5c s SER 119 Cb -0.01 -2.55 0.20 0.00 -1.71 0.00 0.00 66.02 61.95 1x5c s SER 119 CO 0.12 -1.62 0.49 -1.54 1.20 0.00 0.00 173.24 171.89 1x5c n SER 120 N 8.92 -1.44 0.00 5.45 3.41 -1.26 -5.23 113.62 123.47 1x5c n SER 120 Ca 0.18 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.68 1x5c n SER 120 Cb 0.50 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 1x5c n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49